3-chloro-1-methylbicyclo[4.1.0]hept-3-ene

C8H11Cl — CID 163431479

IUPAC3-chloro-1-methylbicyclo[4.1.0]hept-3-ene
SMILESCC12CC(Cl)=CCC1C2
InChIInChI=1S/C8H11Cl/c1-8-4-6(8)2-3-7(9)5-8/h3,6H,2,4-5H2,1H3
InChIKeyAQVPWFGQUGZJCT-UHFFFAOYSA-N
MW142.63 g/mol
LogP2.93
Rot. Bonds

About 3-chloro-1-methylbicyclo[4.1.0]hept-3-ene

3-chloro-1-methylbicyclo[4.1.0]hept-3-ene (PubChem CID 163431479) has the molecular formula C8H11Cl and a molecular weight of 142.63 g/mol. Its IUPAC name is 3-chloro-1-methylbicyclo[4.1.0]hept-3-ene.

Molecular Properties

Compound Name3-chloro-1-methylbicyclo[4.1.0]hept-3-ene
PubChem CID163431479
Molecular FormulaC8H11Cl
Molecular Weight142.63 g/mol
Exact Mass142.05
IUPAC Name3-chloro-1-methylbicyclo[4.1.0]hept-3-ene
SMILESCC12CC(Cl)=CCC1C2
InChIInChI=1S/C8H11Cl/c1-8-4-6(8)2-3-7(9)5-8/h3,6H,2,4-5H2,1H3
InChIKeyAQVPWFGQUGZJCT-UHFFFAOYSA-N
XLogP2.93
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.63
LogP ≤ 52.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

1-methyl-3-methylidenebicyclo[3.1.0]hexane
CID 90931570
methane;1-methylbicyclo[3.1.0]hexan-3-one
CID 161056002
6-methyl-3-azabicyclo[4.1.0]hept-3-en-4-amine
CID 11094605
2,6,6-trimethylbicyclo[3.1.1]hept-2-ene-1-carbothialdehyde
CID 142672744
(3R,4aS,8aS)-4a,6-dimethyl-3-phenyl-1,3,4,5,8,8a-hexahydroisochromene
CID 102496528
(3R,4aR,8aS)-4a,6-dimethyl-3-phenyl-1,3,4,5,8,8a-hexahydroisochromene
CID 102496524
1-iodo-4,5,5-trimethylcyclopentene
CID 134856113
(3aS,6aS)-6,6a-dimethyl-2,3,3a,4-tetrahydro-1H-pentalene
CID 101365491
(4S)-1,4,5,5-tetramethylcyclohexene
CID 145469931
(1R,5S)-2-(chloromethyl)-6,6-dimethylbicyclo[3.1.1]hept-2-ene
CID 67996111
(4aR,8aS)-7,8a-dimethyl-2,3,4,4a,5,8-hexahydronaphthalen-1-one
CID 130978861
6,6-dimethylbicyclo[3.1.1]hept-2-en-2-ol
CID 58426752

Frequently Asked Questions

What is the IUPAC name of 3-chloro-1-methylbicyclo[4.1.0]hept-3-ene?
The IUPAC name of 3-chloro-1-methylbicyclo[4.1.0]hept-3-ene (CID 163431479) is 3-chloro-1-methylbicyclo[4.1.0]hept-3-ene.
What is the SMILES notation for 3-chloro-1-methylbicyclo[4.1.0]hept-3-ene?
The canonical SMILES for 3-chloro-1-methylbicyclo[4.1.0]hept-3-ene is CC12CC(Cl)=CCC1C2.
What is the InChIKey of 3-chloro-1-methylbicyclo[4.1.0]hept-3-ene?
The InChIKey is AQVPWFGQUGZJCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11Cl/c1-8-4-6(8)2-3-7(9)5-8/h3,6H,2,4-5H2,1H3.
What are the key properties of 3-chloro-1-methylbicyclo[4.1.0]hept-3-ene?
3-chloro-1-methylbicyclo[4.1.0]hept-3-ene has a molecular weight of 142.63 g/mol, XLogP of 2.93, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-1-methylbicyclo[4.1.0]hept-3-ene is sourced from PubChem (CID 163431479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).